2-[1-[(Z)-4-bromanyl-1-methoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanylidene-4-sulfanyl-azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-[(Z)-4-bromanyl-1-methoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-2-oxidanylidene-4-sulfanyl-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[1-[(1Z)-3-bromo-1-[hydroxy(methoxy)methylene]-2-oxo-propyl]-2-oxo-4-sulfanyl-azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[1-[(Z)-4-bromo-1-hydroxy-1-methoxy-3-oxobut-1-en-2-yl]-2-mercapto-4-oxo-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[1-[(Z)-4-bromo-1-hydroxy-1-methoxy-3-oxobut-1-en-2-yl]-2-oxo-4-sulfanylazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[1-[(Z)-1-(2-bromoacetyl)-2-hydroxy-2-methoxy-vinyl]-2-keto-4-mercapto-azetidin-3-yl]isoindoline-1,3-quinone Formula: C16H13BrN2O6S MolecularWeight: 441.25322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)CBr)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S)O

Isomeric SMILES

CO/C(=C(/C(=O)CBr)\N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)S)/O

InChI

InChI=1S/C16H13BrN2O6S/c1-25-16(24)10(9(20)6-17)19-14(23)11(15(19)26)18-12(21)7-4-2-3-5-8(7)13(18)22/h2-5,11,15,24,26H,6H2,1H3/b16-10-